1-(2-fluoro-4,6-dimethylphenyl)propan-1-one

C11H13FO — CID 106880723

IUPAC1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
SMILESCCC(=O)c1c(C)cc(C)cc1F
InChIInChI=1S/C11H13FO/c1-4-10(13)11-8(3)5-7(2)6-9(11)12/h5-6H,4H2,1-3H3
InChIKeyRZIPRYQAKJEALB-UHFFFAOYSA-N
MW180.22 g/mol
LogP3.04
Rot. Bonds2

About 1-(2-fluoro-4,6-dimethylphenyl)propan-1-one

1-(2-fluoro-4,6-dimethylphenyl)propan-1-one (PubChem CID 106880723) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is 1-(2-fluoro-4,6-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
PubChem CID106880723
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
SMILESCCC(=O)c1c(C)cc(C)cc1F
InChIInChI=1S/C11H13FO/c1-4-10(13)11-8(3)5-7(2)6-9(11)12/h5-6H,4H2,1-3H3
InChIKeyRZIPRYQAKJEALB-UHFFFAOYSA-N
XLogP3.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanone
CID 106880740
3-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
CID 106880998
1-(2-fluoro-3,5-dimethylphenyl)propan-1-one
CID 83988890
1-(2-fluoro-4,6-dimethylphenyl)-3-methoxy-3-methylbutan-1-one
CID 106883351
2-(aminomethyl)-2-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-one
CID 106883129
1-(2-fluoro-4,6-dimethylphenyl)-2,2-dimethylbutan-1-one
CID 106883231
(2-fluoro-4,6-dimethylphenyl)-(2,4,6-trifluorophenyl)methanone
CID 106883314
2-[1-(aminomethyl)cyclobutyl]-1-(2-fluoro-4,6-dimethylphenyl)ethanone
CID 106883115
2-(3,4-dichlorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone
CID 106880750
1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyethylamino)ethanone
CID 106883090
2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
CID 130665453
2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone
CID 106880766

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)propan-1-one?
The IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)propan-1-one (CID 106880723) is 1-(2-fluoro-4,6-dimethylphenyl)propan-1-one.
What is the SMILES notation for 1-(2-fluoro-4,6-dimethylphenyl)propan-1-one?
The canonical SMILES for 1-(2-fluoro-4,6-dimethylphenyl)propan-1-one is CCC(=O)c1c(C)cc(C)cc1F.
What is the InChIKey of 1-(2-fluoro-4,6-dimethylphenyl)propan-1-one?
The InChIKey is RZIPRYQAKJEALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO/c1-4-10(13)11-8(3)5-7(2)6-9(11)12/h5-6H,4H2,1-3H3.
What are the key properties of 1-(2-fluoro-4,6-dimethylphenyl)propan-1-one?
1-(2-fluoro-4,6-dimethylphenyl)propan-1-one has a molecular weight of 180.22 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4,6-dimethylphenyl)propan-1-one is sourced from PubChem (CID 106880723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).